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Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Language models (LMs) trained on vast quantities of unlabelled data have greatly advanced the field of natural language processing (NLP). In this study, we re-visit the widely accepted notion in NLP that continued pre-training LMs on…

Computation and Language · Computer Science 2023-10-09 Zhengxiang Shi , Aldo Lipani

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

Biomolecules · Quantitative Biology 2024-09-05 Jiangbin Zheng , Stan Z. Li

In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein language models in various downstream tasks. However, most existing…

Machine Learning · Computer Science 2024-06-04 Jiale Zhao , Wanru Zhuang , Jia Song , Yaqi Li , Shuqi Lu

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current…

Machine Learning · Computer Science 2019-06-20 Roshan Rao , Nicholas Bhattacharya , Neil Thomas , Yan Duan , Xi Chen , John Canny , Pieter Abbeel , Yun S. Song

Deep neural networks are typically trained under a supervised learning framework where a model learns a single task using labeled data. Instead of relying solely on labeled data, practitioners can harness unlabeled or related data to…

Machine Learning · Computer Science 2020-07-03 Huanru Henry Mao

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Pre-training has shown success in different areas of machine learning, such as Computer Vision, Natural Language Processing (NLP), and medical imaging. However, it has not been fully explored for clinical data analysis. An immense amount of…

Machine Learning · Computer Science 2023-07-18 Chantal Pellegrini , Nassir Navab , Anees Kazi

Fine-tuning pre-trained large language models (LLMs) on a diverse array of tasks has become a common approach for building models that can solve various natural language processing (NLP) tasks. However, where and to what extent these models…

Computation and Language · Computer Science 2024-10-29 Zheng Zhao , Yftah Ziser , Shay B. Cohen

Through solving pretext tasks, self-supervised learning leverages unlabeled data to extract useful latent representations replacing traditional input features in the downstream task. In audio/speech signal processing, a wide range of…

Audio and Speech Processing · Electrical Eng. & Systems 2022-11-23 Salah Zaiem , Titouan Parcollet , Slim Essid , Abdel Heba

We present two approaches that use unlabeled data to improve sequence learning with recurrent networks. The first approach is to predict what comes next in a sequence, which is a conventional language model in natural language processing.…

Machine Learning · Computer Science 2015-11-05 Andrew M. Dai , Quoc V. Le

The unsupervised pretraining of object detectors has recently become a key component of object detector training, as it leads to improved performance and faster convergence during the supervised fine-tuning stage. Existing unsupervised…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Ioannis Maniadis Metaxas , Adrian Bulat , Ioannis Patras , Brais Martinez , Georgios Tzimiropoulos

Loading models pre-trained on the large-scale corpus in the general domain and fine-tuning them on specific downstream tasks is gradually becoming a paradigm in Natural Language Processing. Previous investigations prove that introducing a…

Computation and Language · Computer Science 2021-09-15 Yao Qiu , Jinchao Zhang , Jie Zhou

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Deep convolutional neural networks have achieved great success in various applications. However, training an effective DNN model for a specific task is rather challenging because it requires a prior knowledge or experience to design the…

Machine Learning · Computer Science 2018-06-06 Sheng-Jun Huang , Jia-Wei Zhao , Zhao-Yang Liu

Pre-training text representations has recently been shown to significantly improve the state-of-the-art in many natural language processing tasks. The central goal of pre-training is to learn text representations that are useful for…

Computation and Language · Computer Science 2020-04-14 Shangwen Lv , Yuechen Wang , Daya Guo , Duyu Tang , Nan Duan , Fuqing Zhu , Ming Gong , Linjun Shou , Ryan Ma , Daxin Jiang , Guihong Cao , Ming Zhou , Songlin Hu

Entailment has been recognized as an important metric for evaluating natural language understanding (NLU) models, and recent studies have found that entailment pretraining benefits weakly supervised fine-tuning. In this work, we design a…

Computation and Language · Computer Science 2023-05-30 Jiaxin Ge , Hongyin Luo , Yoon Kim , James Glass

Deep learning has proven effective for various application tasks, but its applicability is limited by the reliance on annotated examples. Self-supervised learning has emerged as a promising direction to alleviate the supervision bottleneck,…

Machine Learning · Computer Science 2021-07-28 Hoifung Poon , Hai Wang , Hunter Lang